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Back Cover: Metabolic Instability of Cyanothiazolidine‐Based Prolyl Oligopeptidase Inhibitors: a Structural Assignment Challenge and Potential Medicinal Chemistry Implications (ChemMedChem 7/2015)
Author(s) -
Schiavini Paolo,
Pottel Joshua,
Moitessier Nicolas,
Auclair Karine
Publication year - 2015
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201590022
Subject(s) - oligopeptidase , diastereomer , chemistry , cover (algebra) , stereochemistry , computational biology , biochemistry , enzyme , biology , engineering , mechanical engineering
The back cover picture shows the computed transition state for P450‐mediated sulfur oxidation of a prolyl oligopeptidase (POP) inhibitor. P450 metabolism generates a dynamic mixture of diastereomers. The structure identification puzzle was solved by translating experimental results into a computational protocol aimed at considering all possible combinations of diastereomers to narrow it down to one. For further details, see the Full Paper by Paolo Schiavini, Joshua Pottel, Nicolas Moitessier, Karine Auclair on p. 1174 ff.